Ab initio-based approach to initial incorporation of Bi on vertical bar GaAs(001)-c(4 x 4)alpha surface

作者：Murase Isao^*; Akiyama Toru; Nakamura Kohji; Ito Tomonori

来源：Journal of Crystal Growth, 2013, 378: 21-24.

DOI：10.1016/j.jcrysgro.2012.12.047

• Computer simulation
• Phase diagrams
• Surface structure
• Molecular beam epitaxy
• Bismuth compounds

The initial incorporation processes of bismuth on GaAs(001)-c(4 x 4) surface are investigated by using our ab initio-based approach taking chemical potentials in the gas phase into account. The calculated surface phase diagrams obtained by comparing the adsorption energy with the gas-phase chemical potential demonstrate that the form of incorporated Bi depends on the growth conditions. The Ga-Bi dimer easily adsorbs on the missing dimer region of the c(4 x 4)alpha surface where as the Bi-Bi dimer adsorption occurs after the Ga-As dimer desorption on the surface with a Ga-Bi dimer. These results imply that the adsorption of Bi-Bi dimer accompanied with Ga-As dimer desorption is crucial for the growth process of GaAsBi on GaAs(001) substrates.

• 出版日期2013-9-1